389 citations · 755 across the 7 of their papers we have counts for
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q-bio.QM2023★ 389 cited
PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
Martin Buttenschoen, Garrett M. Morris, Charlotte M. Deane
The last few years have seen the development of numerous deep learning-based protein-ligand docking methods. They offer huge promise in terms of speed and accuracy. However, despit…
q-bio.BM2023★ 3 cited
Drug Discovery under Covariate Shift with Domain-Informed Prior Distributions over Functions
Leo Klarner, Tim G. J. Rudner, Michael Reutlinger +4
Accelerating the discovery of novel and more effective therapeutics is an important pharmaceutical problem in which deep learning is playing an increasingly significant role. Howev…